2-[(6-butyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-butyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(6-butyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M109-0116 |
| Compound Name: | 2-[(6-butyl-7-oxo-3-phenyl-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CCCCN1C(=Nc2c(c3ccccc3)nsc2C1=O)SCC(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7692 |
| logD: | 4.7692 |
| logSw: | -4.5053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.774 |
| InChI Key: | MFNQICCHPMXQPB-UHFFFAOYSA-N |